N'-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonohydrazide

C13H11BrN4O3S — CID 127027138

IUPACN'-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonohydrazide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NNc3ccc(Br)cc3)cc2[nH]1
InChIInChI=1S/C13H11BrN4O3S/c14-8-1-3-9(4-2-8)17-18-22(20,21)10-5-6-11-12(7-10)16-13(19)15-11/h1-7,17-18H,(H2,15,16,19)
InChIKeyLWAATSAQFBNNRZ-UHFFFAOYSA-N
MW383.23 g/mol
LogP1.92
Rot. Bonds4

About N'-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonohydrazide

N'-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonohydrazide (PubChem CID 127027138) has the molecular formula C13H11BrN4O3S and a molecular weight of 383.23 g/mol. Its IUPAC name is N'-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonohydrazide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonohydrazide
PubChem CID127027138
Molecular FormulaC13H11BrN4O3S
Molecular Weight383.23 g/mol
Exact Mass381.97
IUPAC NameN'-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonohydrazide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NNc3ccc(Br)cc3)cc2[nH]1
InChIInChI=1S/C13H11BrN4O3S/c14-8-1-3-9(4-2-8)17-18-22(20,21)10-5-6-11-12(7-10)16-13(19)15-11/h1-7,17-18H,(H2,15,16,19)
InChIKeyLWAATSAQFBNNRZ-UHFFFAOYSA-N
XLogP1.92
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-bromophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonohydrazide
CID 127027140
N-(4-bromophenyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2133825
N-(4-bromo-2-fluorophenyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 8777078
N-(4-bromo-2-fluorophenyl)-1,3-diethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 17252059
N-(4-Bromo-3-methylphenyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 7586545
6-bromo-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 63840460
2-oxo-N-phenyl-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2957792
N-(3-Bromophenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 7455472
N-(4-bromophenyl)-1,3-diethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 17252076
N-(4-Bromophenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 24319604
6-bromo-N-(2,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 71867316
1,3-dimethyl-2-oxo-N'-phenyl-2,3-dihydro-1H-benzimidazole-5-sulfonohydrazide
CID 1242528

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonohydrazide?
The IUPAC name of N'-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonohydrazide (CID 127027138) is N'-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonohydrazide.
What is the SMILES notation for N'-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonohydrazide?
The canonical SMILES for N'-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonohydrazide is O=c1[nH]c2ccc(S(=O)(=O)NNc3ccc(Br)cc3)cc2[nH]1.
What is the InChIKey of N'-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonohydrazide?
The InChIKey is LWAATSAQFBNNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O3S/c14-8-1-3-9(4-2-8)17-18-22(20,21)10-5-6-11-12(7-10)16-13(19)15-11/h1-7,17-18H,(H2,15,16,19).
What are the key properties of N'-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonohydrazide?
N'-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonohydrazide has a molecular weight of 383.23 g/mol, XLogP of 1.92, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonohydrazide is sourced from PubChem (CID 127027138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).